2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide

C14H21ClN2O — CID 54869039

IUPAC2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide
SMILESCCCCC(N)C(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-3-4-9-13(16)14(18)17(2)10-11-7-5-6-8-12(11)15/h5-8,13H,3-4,9-10,16H2,1-2H3
InChIKeyYAABGSWXIDLYRG-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.82
Rot. Bonds6

About 2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide

2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide (PubChem CID 54869039) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide.

Molecular Properties

Compound Name2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide
PubChem CID54869039
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide
SMILESCCCCC(N)C(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-3-4-9-13(16)14(18)17(2)10-11-7-5-6-8-12(11)15/h5-8,13H,3-4,9-10,16H2,1-2H3
InChIKeyYAABGSWXIDLYRG-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78768741
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide
CID 43650342
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119682671
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide
CID 93367881
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide
CID 103830963
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide
CID 93367493
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide
CID 103830977
2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide
CID 81071354
(2S)-2-amino-N-(2-chlorophenyl)hexanamide
CID 103830834
1-(2-aminohexanoylamino)-3-[(2-chlorophenyl)methyl]urea
CID 11426966

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide?
The IUPAC name of 2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide (CID 54869039) is 2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide.
What is the SMILES notation for 2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide?
The canonical SMILES for 2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide is CCCCC(N)C(=O)N(C)Cc1ccccc1Cl.
What is the InChIKey of 2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide?
The InChIKey is YAABGSWXIDLYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-4-9-13(16)14(18)17(2)10-11-7-5-6-8-12(11)15/h5-8,13H,3-4,9-10,16H2,1-2H3.
What are the key properties of 2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide?
2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide has a molecular weight of 268.79 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide is sourced from PubChem (CID 54869039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).